# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.51894062
_cell_length_b   10.26908501
_cell_length_c   49.94431190
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe40 C20'
_cell_volume   1291.92027354
_cell_formula_units_Z   20
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe1  1  1.000301  0.917899  0.297070  1
  Fe  Fe2  1  1.000301  0.516240  0.337892  1
  Fe  Fe3  1  1.000301  0.127502  0.322017  1
  Fe  Fe4  1  1.000301  0.729572  0.363526  1
  Fe  Fe5  1  0.500301  0.309206  0.355045  1
  Fe  Fe6  1  0.500301  0.703293  0.314190  1
  Fe  Fe7  1  0.500301  0.937281  0.346760  1
  Fe  Fe8  1  0.500301  0.331691  0.305464  1
  Fe  Fe9  1  1.000301  0.122052  0.380113  1
  Fe  Fe10  1  1.000301  0.725031  0.421634  1
  Fe  Fe11  1  1.000301  0.334177  0.405107  1
  Fe  Fe12  1  1.000301  0.936916  0.446951  1
  Fe  Fe13  1  0.500301  0.517134  0.438487  1
  Fe  Fe14  1  0.500301  0.913037  0.396981  1
  Fe  Fe15  1  0.500301  0.145248  0.430113  1
  Fe  Fe16  1  0.500301  0.541362  0.388194  1
  Fe  Fe17  1  1.000301  0.328384  0.463218  1
  Fe  Fe18  1  1.000301  0.933173  0.505057  1
  Fe  Fe19  1  1.000301  0.540792  0.488581  1
  Fe  Fe20  1  1.000301  0.145434  0.530327  1
  Fe  Fe21  1  0.500301  0.724688  0.521918  1
  Fe  Fe22  1  0.500301  0.120941  0.480171  1
  Fe  Fe23  1  0.500301  0.352861  0.513394  1
  Fe  Fe24  1  0.500301  0.749083  0.471699  1
  Fe  Fe25  1  1.000301  0.536651  0.546688  1
  Fe  Fe26  1  1.000301  0.139727  0.588438  1
  Fe  Fe27  1  1.000301  0.748540  0.571956  1
  Fe  Fe28  1  1.000301  0.352068  0.613593  1
  Fe  Fe29  1  0.500301  0.932454  0.605362  1
  Fe  Fe30  1  0.500301  0.328561  0.563534  1
  Fe  Fe31  1  0.500301  0.560714  0.596683  1
  Fe  Fe32  1  0.500301  0.956698  0.555111  1
  Fe  Fe33  1  1.000301  0.744463  0.630063  1
  Fe  Fe34  1  1.000301  0.346947  0.671697  1
  Fe  Fe35  1  1.000301  0.957462  0.655628  1
  Fe  Fe36  1  1.000301  0.558347  0.696786  1
  Fe  Fe37  1  0.500301  0.141993  0.688307  1
  Fe  Fe38  1  0.500301  0.536571  0.646853  1
  Fe  Fe39  1  0.500301  0.770420  0.679467  1
  Fe  Fe40  1  0.500301  0.164686  0.638488  1
  C  C41  1  0.000301  0.821683  0.330050  1
  C  C42  1  0.000301  0.425556  0.371539  1
  C  C43  1  0.500301  0.123148  0.351060  1
  C  C44  1  0.500301  0.518038  0.308824  1
  C  C45  1  0.000301  0.029283  0.413507  1
  C  C46  1  0.000301  0.633012  0.455120  1
  C  C47  1  0.500301  0.331262  0.434163  1
  C  C48  1  0.500301  0.727202  0.392580  1
  C  C49  1  0.000301  0.236927  0.496775  1
  C  C50  1  0.000301  0.840763  0.538495  1
  C  C51  1  0.500301  0.538787  0.517634  1
  C  C52  1  0.500301  0.934975  0.476004  1
  C  C53  1  0.000301  0.444475  0.580155  1
  C  C54  1  0.000301  0.048314  0.622001  1
  C  C55  1  0.500301  0.746593  0.601009  1
  C  C56  1  0.500301  0.142597  0.559383  1
  C  C57  1  0.000301  0.652280  0.663529  1
  C  C58  1  0.000301  0.256446  0.705371  1
  C  C59  1  0.500301  0.955759  0.684696  1
  C  C60  1  0.500301  0.350651  0.642647  1
